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| | Methyl 1H-indole-7-carboxylate Basic information |
| | Methyl 1H-indole-7-carboxylate Chemical Properties |
| Melting point | 47-48°C | | Boiling point | 331.7±15.0 °C(Predicted) | | density | 1.253±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | pka | 15.42±0.30(Predicted) | | form | Solid | | color | White to Off-White | | InChI | InChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,11H,1H3 | | InChIKey | FTLOEULOTNVCGF-UHFFFAOYSA-N | | SMILES | N1C2=C(C=CC=C2C(OC)=O)C=C1 | | CAS DataBase Reference | 93247-78-0(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39-37/39 | | WGK Germany | WGK 3 highly water endangering | | HS Code | 2933 99 80 | | HazardClass | IRRITANT | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | Methyl 1H-indole-7-carboxylate Usage And Synthesis |
| Uses | Methyl Indole-7-carboxylate is useful for the preparation of inhibitors of CD38, which are useful in the treatment of cancer. | | Synthesis | To a solution of 1H-indole-7-carboxylic acid (20 g, 124 mmol, 1.0 eq.) in methanol (700 ml) was slowly added concentrated sulfuric acid (1.2 g, 12 mmol, 0.1 eq.), the temperature of the reaction system was maintained at 0 °C and stirring was continued. The reaction mixture was heated to reflux and maintained for 20 hours. After completion of the reaction, methanol was evaporated under reduced pressure using a rotary evaporator. The residue was dissolved in ethyl acetate and the organic phase was washed sequentially with saturated sodium carbonate solution and brine. The organic layer was dried over anhydrous sodium sulfate and filtered, and the filtrate was concentrated under reduced pressure to give Intermediate 1 (16.3 g, 75% yield) as a yellow solid. | | References | [1] Patent: WO2013/4709, 2013, A1. Location in patent: Page/Page column 51 |
| | Methyl 1H-indole-7-carboxylate Preparation Products And Raw materials |
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